Isobutyl acetate

Isobutyl acetate^[1][2]

Names
IUPAC name 2-methylpropyl acetate
Other names Isobutyl ester
Identifiers
CAS Registry Number	110-19-0 Y
ChEBI	CHEBI:50569 Y
ChEMBL	ChEMBL46999 Y
ChemSpider	7747 Y
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 Y Key: GJRQTCIYDGXPES-UHFFFAOYSA-N Y InChI=1/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 Key: GJRQTCIYDGXPES-UHFFFAOYAF
Jmol-3D images	Image
PubChem	8038
SMILES O=C(OCC(C)C)C
UNII	7CR47FO6LF Y
Properties
Chemical formula	C6H12O2
Molar mass	116.16 g/mol
Appearance	Colourless liquid
Odor	Fruity, floral[3]
Density	0.875 g/cm3, liquid
Melting point	−99 °C (−146 °F; 174 K)
Boiling point	118 °C (244 °F; 391 K)
Solubility in water	Slightly soluble 0.63-0.7g/100g at 20 °C
Vapor pressure	13 mmHg (20°C)[3]
Hazards
Flash point	18 °C; 64 °F; 291 K [3]
Explosive limits	1.3%-10.5%[3]
US health exposure limits (NIOSH):
PEL (Permissible)	TWA 150 ppm (700 mg/m3)[3]
REL (Recommended)	TWA 150 ppm (700 mg/m3)[3]
IDLH (Immediate danger)	1300 ppm[3]
Except where noted otherwise, data is given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
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Infobox references

The chemical compound isobutyl acetate, also known as 2-methylpropyl ethanoate (IUPAC name) or β-methylpropyl acetate, is a common solvent. It is produced from the esterification of isobutanol with acetic acid. It is used as a solvent for lacquer and nitrocellulose. Like many esters it has a fruity or floral smell at low concentrations and occurs naturally in raspberries, pears and other plants. At higher concentrations the odor can be unpleasant and may cause symptoms of central nervous system depression such as nausea, dizziness and headache.

A common method for preparing isobutyl acetate is Fischer esterification, where precursors isobutyl alcohol and acetic acid are heated in the presence of a strong acid.

Isobutyl acetate has three isomers: n-butyl acetate, tert-butyl acetate, and sec-butyl acetate, which are also common solvents.

References